5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide

C9H9BrF3N3O — CID 70935274

IUPAC5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide
SMILESCC(C)(NC(=O)c1ncc(Br)cn1)C(F)(F)F
InChIInChI=1S/C9H9BrF3N3O/c1-8(2,9(11,12)13)16-7(17)6-14-3-5(10)4-15-6/h3-4H,1-2H3,(H,16,17)
InChIKeyANURSQSZOUDYOT-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.31
Rot. Bonds2

About 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide

5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide (PubChem CID 70935274) has the molecular formula C9H9BrF3N3O and a molecular weight of 312.09 g/mol. Its IUPAC name is 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide
PubChem CID70935274
Molecular FormulaC9H9BrF3N3O
Molecular Weight312.09 g/mol
Exact Mass310.99
IUPAC Name5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide
SMILESCC(C)(NC(=O)c1ncc(Br)cn1)C(F)(F)F
InChIInChI=1S/C9H9BrF3N3O/c1-8(2,9(11,12)13)16-7(17)6-14-3-5(10)4-15-6/h3-4H,1-2H3,(H,16,17)
InChIKeyANURSQSZOUDYOT-UHFFFAOYSA-N
XLogP2.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N,N-dimethylpyrimidine-2-carboxamide
CID 59559990
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 75370271
N-(1-(5-Fluoropyrimidin-2-yl)vinyl)acetamide
CID 45119272
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
5-[(5-Bromopyrimidin-2-yl)amino]-3-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 47002013
N-[1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
CID 66624238
N-[1-(5-fluoropyrimidin-2-yl)-1-iodoethyl]acetamide
CID 68724533
5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 70896667
5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 70935267
5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide
CID 70979702
N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
CID 89486138
4-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 123448927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide (CID 70935274) is 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide is CC(C)(NC(=O)c1ncc(Br)cn1)C(F)(F)F.
What is the InChIKey of 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
The InChIKey is ANURSQSZOUDYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3O/c1-8(2,9(11,12)13)16-7(17)6-14-3-5(10)4-15-6/h3-4H,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide has a molecular weight of 312.09 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 70935274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).